First-principles Analysis of Dissociative Absorption of HF Molecule at SiC Surface Step Edge

被引：5

作者：

Inagaki, Kouji ^{[1
]}

Van Pho, Bui ^{[1
]}

Yamauchi, Kazuto ^{[1
]}

Morikawa, Yoshitada ^{[1
]}

机构：

[1] Osaka Univ, Suita, Osaka, Japan

来源：

SILICON CARBIDE AND RELATED MATERIALS 2011, PTS 1 AND 2 | 2012年 / 717-720卷

关键词：

Catalyst-referred etching; Hydrogen fluoride; First-principles calculation; Dissociative absorption; Reaction barrier;

D O I：

10.4028/www.scientific.net/MSF.717-720.581

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

It has been reported that a SiC surface can be etched off in a concentrated aqueous solution of hydrogen fluoride by making contact with a Pt plate catalyst, named Catalyst-referred Etching (CARE) [1]. In this report, we present first-principles simulations on the initial stage of the etching process. Reaction barrier heights of dissociative absorption reactions of a hydrogen fluoride molecule breaking into a couple of kinds of back-bonds at a step edge of 3C:-SiC(111) are analyzed.

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收藏

页码：581 / 584

页数：4

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